N-methyl-1-(2-methylnaphthalen-1-yl)-1-(3-methylthiophen-2-yl)methanamine

C18H19NS — CID 81431713

IUPACN-methyl-1-(2-methylnaphthalen-1-yl)-1-(3-methylthiophen-2-yl)methanamine
SMILESCNC(c1sccc1C)c1c(C)ccc2ccccc12
InChIInChI=1S/C18H19NS/c1-12-8-9-14-6-4-5-7-15(14)16(12)17(19-3)18-13(2)10-11-20-18/h4-11,17,19H,1-3H3
InChIKeyMFKKQBBZVXFANG-UHFFFAOYSA-N
MW281.42 g/mol
LogP4.83
Rot. Bonds3

About N-methyl-1-(2-methylnaphthalen-1-yl)-1-(3-methylthiophen-2-yl)methanamine

N-methyl-1-(2-methylnaphthalen-1-yl)-1-(3-methylthiophen-2-yl)methanamine (PubChem CID 81431713) has the molecular formula C18H19NS and a molecular weight of 281.42 g/mol. Its IUPAC name is N-methyl-1-(2-methylnaphthalen-1-yl)-1-(3-methylthiophen-2-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(2-methylnaphthalen-1-yl)-1-(3-methylthiophen-2-yl)methanamine
PubChem CID81431713
Molecular FormulaC18H19NS
Molecular Weight281.42 g/mol
Exact Mass281.12
IUPAC NameN-methyl-1-(2-methylnaphthalen-1-yl)-1-(3-methylthiophen-2-yl)methanamine
SMILESCNC(c1sccc1C)c1c(C)ccc2ccccc12
InChIInChI=1S/C18H19NS/c1-12-8-9-14-6-4-5-7-15(14)16(12)17(19-3)18-13(2)10-11-20-18/h4-11,17,19H,1-3H3
InChIKeyMFKKQBBZVXFANG-UHFFFAOYSA-N
XLogP4.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-iodothiophen-3-yl)-N-methyl-1-(2-methylnaphthalen-1-yl)methanamine
CID 81431920
1-(5-bromofuran-2-yl)-N-methyl-1-(2-methylnaphthalen-1-yl)methanamine
CID 81432132
1-(2,5-dibromothiophen-3-yl)-N-methyl-1-(2-methylnaphthalen-1-yl)methanamine
CID 107961216
1-(2,5-dichlorothiophen-3-yl)-N-methyl-1-(2-methylnaphthalen-1-yl)methanamine
CID 107961214
1-(3-bromophenyl)-N-methyl-1-(2-methylnaphthalen-1-yl)methanamine
CID 81428889
N-methyl-2-[methylamino-(3-methylthiophen-2-yl)methyl]aniline
CID 67733700
N-methyl-1-(2-methylthiophen-3-yl)-1-(3-methylthiophen-2-yl)methanamine
CID 102841226
N-methyl-1-(4-methylthiadiazol-5-yl)-1-(3-methylthiophen-2-yl)methanamine
CID 105166473
N-methyl-3-(3-methylthiophen-2-yl)-3-naphthalen-1-yloxypropan-1-amine
CID 54073821
N-methyl-1-(3-methylthiophen-2-yl)-1-quinolin-5-ylmethanamine
CID 115604972
N,4-dimethyl-1-(2-methylnaphthalen-1-yl)pentan-1-amine
CID 81432711
ethane;2-methyl-1-propan-2-ylnaphthalene
CID 144871891

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methylnaphthalen-1-yl)-1-(3-methylthiophen-2-yl)methanamine?
The IUPAC name of N-methyl-1-(2-methylnaphthalen-1-yl)-1-(3-methylthiophen-2-yl)methanamine (CID 81431713) is N-methyl-1-(2-methylnaphthalen-1-yl)-1-(3-methylthiophen-2-yl)methanamine.
What is the SMILES notation for N-methyl-1-(2-methylnaphthalen-1-yl)-1-(3-methylthiophen-2-yl)methanamine?
The canonical SMILES for N-methyl-1-(2-methylnaphthalen-1-yl)-1-(3-methylthiophen-2-yl)methanamine is CNC(c1sccc1C)c1c(C)ccc2ccccc12.
What is the InChIKey of N-methyl-1-(2-methylnaphthalen-1-yl)-1-(3-methylthiophen-2-yl)methanamine?
The InChIKey is MFKKQBBZVXFANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NS/c1-12-8-9-14-6-4-5-7-15(14)16(12)17(19-3)18-13(2)10-11-20-18/h4-11,17,19H,1-3H3.
What are the key properties of N-methyl-1-(2-methylnaphthalen-1-yl)-1-(3-methylthiophen-2-yl)methanamine?
N-methyl-1-(2-methylnaphthalen-1-yl)-1-(3-methylthiophen-2-yl)methanamine has a molecular weight of 281.42 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methylnaphthalen-1-yl)-1-(3-methylthiophen-2-yl)methanamine is sourced from PubChem (CID 81431713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).